#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k0f h GLU 2 N 0.00 0.08 -0.66 -0.78 9.09 -2.05 -1.52 114.58 118.73 2k0f h GLU 2 Ca 0.00 -0.12 0.02 0.00 0.05 0.00 0.00 59.36 59.31 2k0f h GLU 2 Cb 0.00 0.04 -0.03 0.00 -1.65 0.00 0.00 28.75 27.11 2k0f h GLU 2 CO 0.00 1.01 0.44 0.93 0.05 0.00 0.00 179.01 181.43 2k0f h GLU 3 N 0.03 0.82 0.01 1.06 4.39 -2.05 -1.40 114.58 117.44 2k0f h GLU 3 Ca -0.04 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.61 2k0f h GLU 3 Cb 1.72 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 30.18 2k0f h GLU 3 CO 0.14 0.54 -0.00 1.96 -1.16 0.00 0.00 179.01 180.49 2k0f h GLN 4 N 0.84 -0.01 -0.86 2.33 4.20 -1.77 -1.04 115.11 118.81 2k0f h GLN 4 Ca 0.25 0.00 0.20 0.00 0.06 0.00 0.00 58.65 59.17 2k0f h GLN 4 Cb -0.02 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 27.65 2k0f h GLN 4 CO -0.06 0.48 0.33 0.82 -0.67 0.00 0.00 178.83 179.73 2k0f h ILE 5 N -0.51 0.48 -0.48 2.54 1.08 -1.18 -0.85 117.51 118.60 2k0f h ILE 5 Ca -0.00 -0.12 -0.10 0.00 -0.39 0.00 0.00 64.86 64.24 2k0f h ILE 5 Cb 0.50 0.09 -0.01 0.00 -3.07 0.00 0.00 36.82 34.32 2k0f h ILE 5 CO 0.00 0.07 -0.11 0.00 -0.69 0.00 0.00 178.15 177.42 2k0f h ALA 6 N 1.69 0.66 0.00 1.87 0.00 -1.05 -1.57 119.26 120.86 2k0f h ALA 6 Ca 0.52 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2k0f h ALA 6 Cb 0.97 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2k0f h ALA 6 CO -0.53 0.56 -0.09 1.49 0.00 0.00 0.00 179.25 180.67 2k0f h GLU 7 N 0.77 0.00 -0.09 0.00 4.81 -0.83 -1.54 114.58 117.70 2k0f h GLU 7 Ca 0.12 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.27 2k0f h GLU 7 Cb 0.66 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.04 2k0f h GLU 7 CO 0.05 0.00 -0.26 0.74 -0.73 0.00 0.00 179.01 178.81 2k0f h PHE 8 N 0.00 0.43 -0.52 0.92 0.04 -1.12 -3.08 116.94 113.61 2k0f h PHE 8 Ca 0.00 -0.17 -0.03 0.00 2.80 0.00 0.00 57.97 60.56 2k0f h PHE 8 Cb 0.90 -0.07 -0.02 0.00 2.20 0.00 0.00 35.95 38.95 2k0f h PHE 8 CO 0.00 0.87 0.18 -0.22 -0.60 0.00 0.00 178.31 178.54 2k0f h LYS 9 N -0.13 0.76 -0.05 1.51 3.64 -1.10 -2.13 116.57 119.06 2k0f h LYS 9 Ca -0.01 -0.12 0.01 0.00 -1.27 0.00 0.00 60.65 59.26 2k0f h LYS 9 Cb 0.87 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 2k0f h LYS 9 CO 0.06 0.64 -0.01 0.93 -2.27 0.00 0.00 179.45 178.80 2k0f h GLU 10 N 0.74 0.00 0.00 1.90 4.39 -1.40 -2.35 114.58 117.86 2k0f h GLU 10 Ca 0.17 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.85 2k0f h GLU 10 Cb 0.19 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.84 2k0f h GLU 10 CO -0.01 0.00 -0.10 0.00 -1.16 0.00 0.00 179.01 177.74 2k0f h ALA 11 N 1.05 0.98 0.14 3.43 0.00 -1.37 -2.83 119.26 120.65 2k0f h ALA 11 Ca 0.02 -0.09 -0.30 0.00 0.00 0.00 0.00 54.91 54.55 2k0f h ALA 11 Cb 0.04 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.82 2k0f h ALA 11 CO -0.05 0.12 -1.39 0.35 0.00 0.00 0.00 179.25 178.28 2k0f h PHE 12 N 0.00 0.55 -0.74 0.00 3.57 -1.45 -3.31 116.94 115.57 2k0f h PHE 12 Ca -0.00 -0.40 0.03 0.00 3.53 0.00 0.00 57.97 61.13 2k0f h PHE 12 Cb 0.79 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.47 2k0f h PHE 12 CO 0.00 1.36 0.49 0.77 -2.23 0.00 0.00 178.31 178.70 2k0f h SER 13 N 0.08 0.79 -1.39 0.41 0.02 -1.19 -2.98 113.55 109.30 2k0f h SER 13 Ca -0.19 -0.01 0.41 0.00 -0.84 0.00 0.00 61.79 61.15 2k0f h SER 13 Cb 2.02 -0.18 -0.08 0.00 0.14 0.00 0.00 62.40 64.29 2k0f h SER 13 CO 0.20 0.55 0.97 0.25 -1.14 0.00 0.00 176.83 177.65 2k0f h LEU 14 N 0.92 0.12 0.00 5.07 5.85 -1.60 -2.29 115.31 123.37 2k0f h LEU 14 Ca 0.29 0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.05 2k0f h LEU 14 Cb 0.03 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.09 2k0f h LEU 14 CO -0.08 -0.03 -1.43 0.49 -0.34 0.00 0.00 178.44 177.06 2k0f n PHE 15 N -4.30 0.48 -3.26 1.25 3.72 -1.13 -4.82 117.46 109.41 2k0f n PHE 15 Ca 0.33 0.14 -0.28 0.00 -0.05 0.00 0.00 57.45 57.59 2k0f n PHE 15 Cb 1.42 -0.70 -0.03 0.00 -0.94 0.00 0.00 39.48 39.23 2k0f n PHE 15 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2k0f s ASP 16 N -4.83 6.42 -0.23 4.37 2.15 -0.87 -4.72 116.67 118.97 2k0f s ASP 16 Ca -0.03 0.73 0.09 0.00 0.43 0.00 0.00 52.55 53.76 2k0f s ASP 16 Cb 0.12 -2.15 -0.20 0.00 -0.30 0.00 0.00 42.92 40.39 2k0f s ASP 16 CO 0.84 -0.25 -0.09 0.29 -0.17 0.00 0.00 175.17 175.79 2k0f n LYS 17 N -1.15 0.70 0.17 4.34 4.76 -1.26 -4.54 118.16 121.17 2k0f n LYS 17 Ca -0.02 0.08 -0.09 0.00 -2.87 0.00 0.00 58.31 55.41 2k0f n LYS 17 Cb 0.54 -1.51 -0.05 0.00 -1.84 0.00 0.00 35.03 32.18 2k0f n LYS 17 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 2k0f h ASP 18 N 0.00 -0.42 -1.00 4.39 3.32 -1.96 -3.48 116.42 117.27 2k0f h ASP 18 Ca -0.55 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.46 2k0f h ASP 18 Cb 2.03 0.11 0.00 0.00 0.22 0.00 0.00 39.33 41.69 2k0f h ASP 18 CO -0.04 0.03 0.00 0.61 -1.72 0.00 0.00 179.24 178.12 2k0f n GLY 19 N 0.40 0.66 0.00 2.75 0.00 -1.26 -5.07 105.19 102.67 2k0f n GLY 19 Ca -0.07 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.60 2k0f n GLY 19 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k0f n ASP 20 N -0.02 0.00 0.00 1.61 5.68 -1.26 -5.04 116.55 117.53 2k0f n ASP 20 Ca 0.00 0.18 0.00 0.00 -0.50 0.00 0.00 54.79 54.47 2k0f n ASP 20 Cb 0.31 -0.49 0.00 0.00 -1.14 0.00 0.00 41.12 39.80 2k0f n ASP 20 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 21 N 1.70 -0.21 2.96 6.12 0.00 -1.26 -5.11 105.19 109.38 2k0f n GLY 21 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2k0f n GLY 21 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k0f s THR 22 N 0.00 1.32 -0.33 2.61 2.01 -1.26 -3.74 115.64 116.25 2k0f s THR 22 Ca 0.00 -0.56 -0.28 0.00 0.31 0.00 0.00 61.69 61.16 2k0f s THR 22 Cb 0.00 -1.33 0.02 0.00 0.01 0.00 0.00 72.50 71.20 2k0f s THR 22 CO 0.00 0.34 1.03 -0.63 -0.69 0.00 0.00 174.62 174.67 2k0f s ILE 23 N 1.58 4.54 0.51 1.82 1.01 -0.78 -4.90 121.20 124.98 2k0f s ILE 23 Ca 0.04 1.60 -0.06 0.00 0.00 0.00 0.00 60.65 62.22 2k0f s ILE 23 Cb -0.13 -4.38 -0.04 0.00 0.01 0.00 0.00 42.46 37.91 2k0f s ILE 23 CO -0.09 -0.48 0.83 0.42 0.00 0.00 0.00 174.94 175.62 2k0f s THR 24 N 3.58 4.87 0.35 2.92 -4.23 -1.26 -2.30 115.64 119.57 2k0f s THR 24 Ca 0.43 0.35 0.15 0.00 -1.18 0.00 0.00 61.69 61.43 2k0f s THR 24 Cb -0.12 -3.86 0.11 0.00 1.34 0.00 0.00 72.50 69.97 2k0f s THR 24 CO 0.16 -0.90 1.83 0.71 -0.54 0.00 0.00 174.62 175.88 2k0f h THR 25 N 0.14 1.16 -0.34 3.99 1.35 -1.93 -1.23 112.91 116.05 2k0f h THR 25 Ca -0.46 -1.26 -0.04 0.00 -0.55 0.00 0.00 66.41 64.09 2k0f h THR 25 Cb 1.20 1.70 -0.01 0.00 -1.73 0.00 0.00 68.15 69.31 2k0f h THR 25 CO 0.62 0.35 0.04 0.07 -0.25 0.00 0.00 175.52 176.35 2k0f h LYS 26 N 0.00 0.57 -0.02 4.72 2.10 -1.96 0.08 116.57 122.06 2k0f h LYS 26 Ca -0.00 -0.16 -0.00 0.00 -2.00 0.00 0.00 60.65 58.49 2k0f h LYS 26 Cb 0.67 -0.06 -0.00 0.00 -0.90 0.00 0.00 32.23 31.93 2k0f h LYS 26 CO 0.05 0.66 0.01 0.93 -2.00 0.00 0.00 179.45 179.09 2k0f h GLU 27 N 0.40 0.03 -0.48 0.07 5.08 -1.80 -0.29 114.58 117.59 2k0f h GLU 27 Ca 0.10 -0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.40 2k0f h GLU 27 Cb 0.37 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 2k0f h GLU 27 CO 0.01 0.16 0.08 1.25 -1.00 0.00 0.00 179.01 179.51 2k0f h LEU 28 N -0.11 0.69 -1.00 1.33 5.85 -1.30 -1.57 115.31 119.20 2k0f h LEU 28 Ca 0.01 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.56 2k0f h LEU 28 Cb 0.14 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 2k0f h LEU 28 CO -0.00 0.71 0.32 1.23 -0.34 0.00 0.00 178.44 180.36 2k0f h GLY 29 N 0.93 1.10 1.76 3.75 0.00 -0.82 -2.82 103.07 106.97 2k0f h GLY 29 Ca 0.15 -0.55 -0.14 0.00 0.00 0.00 0.00 47.33 46.79 2k0f h GLY 29 CO 0.00 0.52 -0.60 -0.84 0.00 0.00 0.00 176.54 175.63 2k0f h THR 30 N 1.02 1.38 -0.10 4.70 2.02 -0.07 -0.91 112.91 120.95 2k0f h THR 30 Ca 0.24 -1.96 -0.13 0.00 0.77 0.00 0.00 66.41 65.33 2k0f h THR 30 Cb 0.14 1.99 -0.01 0.00 -1.74 0.00 0.00 68.15 68.53 2k0f h THR 30 CO -0.03 0.58 -0.51 1.62 0.37 0.00 0.00 175.52 177.56 2k0f h VAL 31 N 0.18 1.35 -0.04 3.16 3.04 -1.48 -3.22 116.25 119.24 2k0f h VAL 31 Ca -0.01 -1.76 -0.03 0.00 -1.01 0.00 0.00 66.70 63.90 2k0f h VAL 31 Cb 1.10 1.83 0.00 0.00 -2.01 0.00 0.00 31.29 32.21 2k0f h VAL 31 CO 0.09 0.52 -0.08 -0.03 -1.01 0.00 0.00 177.57 177.07 2k0f h MET 32 N 0.21 0.12 0.00 4.17 -1.53 -1.21 -2.35 114.93 114.35 2k0f h MET 32 Ca 0.01 -0.08 0.00 0.00 -3.44 0.00 0.00 59.70 56.19 2k0f h MET 32 Cb 0.97 0.01 0.00 0.00 -0.55 0.00 0.00 31.60 32.03 2k0f h MET 32 CO 0.08 0.65 0.00 2.89 0.14 0.00 0.00 176.91 180.67 2k0f n ARG 33 N -4.71 0.16 -0.10 0.39 1.85 -0.38 0.42 116.66 114.29 2k0f n ARG 33 Ca -0.08 0.14 -0.21 0.00 -1.00 0.00 0.00 57.85 56.70 2k0f n ARG 33 Cb 0.33 -1.50 -0.12 0.00 -1.05 0.00 0.00 32.46 30.13 2k0f n ARG 33 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 2k0f h SER 34 N 0.00 0.00 -0.10 2.89 0.87 -1.45 -3.38 113.55 112.38 2k0f h SER 34 Ca 0.00 -0.56 0.02 0.00 -1.23 0.00 0.00 61.79 60.02 2k0f h SER 34 Cb 0.04 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 61.96 2k0f h SER 34 CO 0.00 1.41 -0.42 -0.07 -0.53 0.00 0.00 176.83 177.23 2k0f h LEU 35 N -1.00 -1.32 0.00 2.23 3.38 -1.14 -3.48 115.31 113.98 2k0f h LEU 35 Ca -0.30 0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2k0f h LEU 35 Cb 1.25 0.51 0.00 0.00 0.09 0.00 0.00 40.66 42.51 2k0f h LEU 35 CO -0.18 -0.37 0.00 0.61 0.09 0.00 0.00 178.44 178.59 2k0f n GLY 36 N -1.33 -2.00 3.74 0.83 0.00 0.17 -5.10 105.19 101.49 2k0f n GLY 36 Ca -0.05 0.61 -0.41 0.00 0.00 0.00 0.00 46.02 46.17 2k0f n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k0f s GLN 37 N -1.06 4.47 -0.47 1.61 -0.21 -1.19 -4.62 119.66 118.20 2k0f s GLN 37 Ca 0.00 1.89 0.04 0.00 0.02 0.00 0.00 55.36 57.31 2k0f s GLN 37 Cb 0.00 -3.24 0.12 0.00 1.00 0.00 0.00 33.01 30.89 2k0f s GLN 37 CO 0.00 -0.12 0.21 1.21 -2.12 0.00 0.00 175.29 174.47 2k0f s ASN 38 N 0.23 4.31 0.79 5.90 2.47 -1.26 -2.19 114.94 125.18 2k0f s ASN 38 Ca 0.54 -2.76 -0.07 0.00 0.42 0.00 0.00 52.86 50.99 2k0f s ASN 38 Cb -0.33 -1.53 0.13 0.00 -1.45 0.00 0.00 41.25 38.07 2k0f s ASN 38 CO 0.36 -0.27 1.10 -2.16 -3.72 0.00 0.00 177.10 172.41 2k0f s PRO 39 N 0.08 1.52 0.74 0.43 0.04 -1.26 -5.06 135.00 131.48 2k0f s PRO 39 Ca 0.16 -0.65 -0.11 0.00 0.04 0.00 0.00 61.00 60.43 2k0f s PRO 39 Cb -0.24 -2.14 0.04 0.00 0.04 0.00 0.00 34.50 32.19 2k0f s PRO 39 CO -0.02 -1.67 1.12 0.95 0.04 0.00 0.00 177.00 177.41 2k0f s THR 40 N -3.39 2.99 0.23 1.26 -4.23 -1.26 -4.99 115.64 106.24 2k0f s THR 40 Ca 0.67 0.29 -0.02 0.00 -1.18 0.00 0.00 61.69 61.45 2k0f s THR 40 Cb -0.06 -3.31 0.02 0.00 1.34 0.00 0.00 72.50 70.48 2k0f s THR 40 CO 0.47 -0.41 1.62 -0.33 -0.54 0.00 0.00 174.62 175.43 2k0f h GLU 41 N -0.77 0.61 -0.98 3.99 5.08 -1.99 -2.98 114.58 117.55 2k0f h GLU 41 Ca -0.45 -0.28 0.11 0.00 -1.00 0.00 0.00 59.36 57.74 2k0f h GLU 41 Cb 1.28 -0.01 -0.08 0.00 0.50 0.00 0.00 28.75 30.44 2k0f h GLU 41 CO 0.64 0.86 0.62 0.00 -1.00 0.00 0.00 179.01 180.14 2k0f h ALA 42 N 1.12 1.55 -0.49 3.43 0.00 -1.97 0.62 119.26 123.52 2k0f h ALA 42 Ca 0.06 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 2k0f h ALA 42 Cb 0.82 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2k0f h ALA 42 CO 0.07 0.22 -0.11 0.93 0.00 0.00 0.00 179.25 180.36 2k0f h GLU 43 N 0.98 0.91 -0.02 0.00 5.08 -1.96 -0.57 114.58 119.00 2k0f h GLU 43 Ca 0.48 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 2k0f h GLU 43 Cb 0.46 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 2k0f h GLU 43 CO -0.24 0.97 -0.02 -0.07 -1.00 0.00 0.00 179.01 178.65 2k0f h LEU 44 N 0.81 0.05 0.42 1.33 3.38 -1.27 -3.19 115.31 116.84 2k0f h LEU 44 Ca 0.13 -0.51 -0.02 0.00 0.09 0.00 0.00 57.88 57.57 2k0f h LEU 44 Cb 0.64 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 2k0f h LEU 44 CO 0.04 0.56 -0.24 -0.61 0.09 0.00 0.00 178.44 178.28 2k0f h GLN 45 N -0.45 -0.59 0.00 1.13 4.15 0.43 -0.72 115.11 119.06 2k0f h GLN 45 Ca 0.00 0.04 -0.08 0.00 0.77 0.00 0.00 58.65 59.38 2k0f h GLN 45 Cb 0.54 0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.36 2k0f h GLN 45 CO 0.01 -0.40 -0.40 -0.44 -1.93 0.00 0.00 178.83 175.67 2k0f h ASP 46 N -0.62 0.00 0.60 -0.69 3.32 -1.28 -0.54 116.42 117.22 2k0f h ASP 46 Ca -0.05 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.97 2k0f h ASP 46 Cb 0.50 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.05 2k0f h ASP 46 CO 0.06 0.40 -0.30 -0.03 -1.72 0.00 0.00 179.24 177.65 2k0f h MET 47 N 0.00 -0.79 -0.53 3.56 1.85 -1.49 -2.98 114.93 114.56 2k0f h MET 47 Ca -0.00 0.05 0.11 0.00 -0.61 0.00 0.00 59.70 59.25 2k0f h MET 47 Cb 0.81 0.18 -0.10 0.00 0.43 0.00 0.00 31.60 32.92 2k0f h MET 47 CO 0.05 -0.52 -0.17 0.82 -0.40 0.00 0.00 176.91 176.68 2k0f h ILE 48 N -0.82 0.40 -0.97 1.77 2.04 -0.93 -3.20 117.51 115.81 2k0f h ILE 48 Ca -0.08 0.00 0.30 0.00 1.00 0.00 0.00 64.86 66.08 2k0f h ILE 48 Cb 0.63 0.40 -0.17 0.00 -0.74 0.00 0.00 36.82 36.94 2k0f h ILE 48 CO 0.13 0.00 0.20 -1.13 0.00 0.00 0.00 178.15 177.34 2k0f h ASN 49 N -0.05 -0.18 -0.56 1.72 -1.24 -0.94 -0.30 115.58 114.04 2k0f h ASN 49 Ca 0.25 0.26 0.11 0.00 0.71 0.00 0.00 56.30 57.63 2k0f h ASN 49 Cb 0.43 0.38 -0.11 0.00 0.73 0.00 0.00 38.32 39.76 2k0f h ASN 49 CO -0.57 -0.33 -0.17 -0.33 -1.29 0.00 0.00 177.43 174.75 2k0f h GLU 50 N 0.06 -0.03 -0.11 6.67 5.08 -1.55 -2.85 114.58 121.85 2k0f h GLU 50 Ca 0.65 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.01 2k0f h GLU 50 Cb 1.44 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.69 2k0f h GLU 50 CO -0.82 -0.02 0.00 1.33 -1.00 0.00 0.00 179.01 178.50 2k0f n VAL 51 N -5.40 0.12 -1.18 3.13 0.24 -0.20 -4.93 118.33 110.10 2k0f n VAL 51 Ca 0.06 -0.52 -0.32 0.00 -2.04 0.00 0.00 64.34 61.52 2k0f n VAL 51 Cb 0.31 1.22 0.11 0.00 -1.47 0.00 0.00 33.84 34.01 2k0f n VAL 51 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2k0f s ASP 52 N -1.87 4.01 -0.23 -1.34 -1.08 -0.72 -4.91 116.67 110.54 2k0f s ASP 52 Ca 0.32 2.08 -0.17 0.00 -0.52 0.00 0.00 52.55 54.26 2k0f s ASP 52 Cb 0.21 -2.55 -0.13 0.00 -1.46 0.00 0.00 42.92 38.99 2k0f s ASP 52 CO 0.31 -2.37 -0.15 0.00 0.52 0.00 0.00 175.17 173.48 2k0f n ALA 53 N -3.43 0.94 -0.03 3.66 0.00 -1.26 -4.56 120.51 115.84 2k0f n ALA 53 Ca 0.11 -0.80 -0.17 0.00 0.00 0.00 0.00 53.44 52.59 2k0f n ALA 53 Cb 0.52 -0.12 -0.08 0.00 0.00 0.00 0.00 19.45 19.77 2k0f n ALA 53 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2k0f h ASP 54 N -1.00 0.80 -1.89 0.00 3.04 -1.95 -3.49 116.42 111.93 2k0f h ASP 54 Ca -0.43 -0.63 0.00 0.00 -3.24 0.00 0.00 57.03 52.73 2k0f h ASP 54 Cb 1.32 -0.24 0.00 0.00 -1.04 0.00 0.00 39.33 39.38 2k0f h ASP 54 CO -0.26 1.30 0.00 0.61 -2.04 0.00 0.00 179.24 178.85 2k0f n GLY 55 N 0.69 0.68 0.12 7.15 0.00 -1.26 -5.04 105.19 107.53 2k0f n GLY 55 Ca -0.08 -0.39 -0.24 0.00 0.00 0.00 0.00 46.02 45.31 2k0f n GLY 55 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2k0f n ASN 56 N -0.94 1.93 0.00 1.61 5.03 -1.26 -5.01 115.26 116.62 2k0f n ASN 56 Ca 0.00 0.32 0.00 0.00 0.87 0.00 0.00 54.58 55.77 2k0f n ASN 56 Cb 0.38 -0.86 0.00 0.00 -1.02 0.00 0.00 39.78 38.28 2k0f n ASN 56 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2k0f n GLY 57 N 1.50 1.30 2.96 7.41 0.00 -1.26 -4.91 105.19 112.19 2k0f n GLY 57 Ca -0.41 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.49 2k0f n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k0f s THR 58 N -2.00 0.01 -0.23 2.61 -4.23 -1.26 -4.50 115.64 106.04 2k0f s THR 58 Ca 0.00 -0.11 -0.06 0.00 -1.18 0.00 0.00 61.69 60.34 2k0f s THR 58 Cb 0.00 -0.14 -0.02 0.00 1.34 0.00 0.00 72.50 73.68 2k0f s THR 58 CO 0.00 -0.06 0.04 -0.51 -0.54 0.00 0.00 174.62 173.54 2k0f s ILE 59 N -0.16 4.08 0.94 2.99 2.07 -0.97 -4.91 121.20 125.23 2k0f s ILE 59 Ca -0.02 -0.25 -0.12 0.00 -1.41 0.00 0.00 60.65 58.84 2k0f s ILE 59 Cb -0.02 -2.89 0.15 0.00 0.13 0.00 0.00 42.46 39.84 2k0f s ILE 59 CO 0.00 0.37 1.12 -1.81 -1.91 0.00 0.00 174.94 172.72 2k0f s ASP 60 N 1.44 3.23 0.09 4.50 1.11 -1.26 -1.86 116.67 123.91 2k0f s ASP 60 Ca 0.05 1.04 -0.15 0.00 0.18 0.00 0.00 52.55 53.67 2k0f s ASP 60 Cb -0.15 -1.65 -0.09 0.00 1.07 0.00 0.00 42.92 42.09 2k0f s ASP 60 CO 0.02 -2.74 1.40 0.15 1.18 0.00 0.00 175.17 175.19 2k0f h PHE 61 N -1.62 0.81 0.00 4.23 3.57 -1.98 0.08 116.94 122.03 2k0f h PHE 61 Ca -0.52 -0.25 0.00 0.00 3.53 0.00 0.00 57.97 60.73 2k0f h PHE 61 Cb 1.33 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.90 2k0f h PHE 61 CO 0.30 0.99 0.00 -0.35 -2.23 0.00 0.00 178.31 177.01 2k0f n PRO 62 N -4.28 0.16 -0.05 6.41 -0.04 -1.26 -0.41 135.00 135.54 2k0f n PRO 62 Ca -0.04 0.36 -0.16 0.00 -0.04 0.00 0.00 63.50 63.62 2k0f n PRO 62 Cb 0.47 -1.79 -0.13 0.00 -0.04 0.00 0.00 33.50 32.01 2k0f n PRO 62 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2k0f h GLU 63 N 0.00 0.07 -0.73 0.54 5.08 -1.89 -2.32 114.58 115.33 2k0f h GLU 63 Ca 0.00 -0.12 0.15 0.00 -1.00 0.00 0.00 59.36 58.39 2k0f h GLU 63 Cb 0.39 0.04 -0.14 0.00 0.50 0.00 0.00 28.75 29.54 2k0f h GLU 63 CO 0.00 1.06 -0.17 0.35 -1.00 0.00 0.00 179.01 179.25 2k0f h PHE 64 N -0.85 -0.37 -0.53 4.33 3.57 -0.79 -1.19 116.94 121.12 2k0f h PHE 64 Ca -0.06 0.07 -0.12 0.00 3.53 0.00 0.00 57.97 61.38 2k0f h PHE 64 Cb 1.18 0.28 -0.02 0.00 2.79 0.00 0.00 35.95 40.18 2k0f h PHE 64 CO 0.25 -0.31 -0.13 1.25 -2.23 0.00 0.00 178.31 177.13 2k0f h LEU 65 N 0.01 1.03 -0.70 0.59 6.46 -0.71 0.14 115.31 122.12 2k0f h LEU 65 Ca 0.36 -0.36 -0.14 0.00 -0.12 0.00 0.00 57.88 57.62 2k0f h LEU 65 Cb 0.55 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 40.19 2k0f h LEU 65 CO -0.75 1.15 -0.50 0.74 -0.62 0.00 0.00 178.44 178.46 2k0f h THR 66 N 0.89 1.33 -0.31 1.05 2.02 -1.41 0.21 112.91 116.70 2k0f h THR 66 Ca 0.13 -1.74 -0.09 0.00 0.77 0.00 0.00 66.41 65.49 2k0f h THR 66 Cb 0.70 1.77 -0.01 0.00 -1.74 0.00 0.00 68.15 68.88 2k0f h THR 66 CO 0.05 0.53 -0.14 -0.03 0.37 0.00 0.00 175.52 176.30 2k0f h MET 67 N 0.30 0.64 0.00 6.66 1.85 -0.69 -2.64 114.93 121.05 2k0f h MET 67 Ca 0.01 -0.28 -0.19 0.00 -0.61 0.00 0.00 59.70 58.64 2k0f h MET 67 Cb 0.99 -0.02 -0.03 0.00 0.43 0.00 0.00 31.60 32.97 2k0f h MET 67 CO 0.09 0.86 -1.11 0.52 -0.40 0.00 0.00 176.91 176.86 2k0f h MET 68 N 0.39 0.00 0.00 0.39 2.86 -0.50 -3.34 114.93 114.74 2k0f h MET 68 Ca 0.07 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.59 2k0f h MET 68 Cb 0.67 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.33 2k0f h MET 68 CO 0.04 0.59 -0.47 0.00 1.06 0.00 0.00 176.91 178.13 2k0f h ALA 69 N 1.24 0.05 -1.87 6.32 0.00 -0.62 -3.47 119.26 120.90 2k0f h ALA 69 Ca -0.10 -0.54 -0.66 0.00 0.00 0.00 0.00 54.91 53.62 2k0f h ALA 69 Cb 1.67 0.03 0.03 0.00 0.00 0.00 0.00 17.79 19.52 2k0f h ALA 69 CO 0.08 0.25 0.85 -2.13 0.00 0.00 0.00 179.25 178.29 2k0f n ARG 70 N -4.33 1.67 -3.15 0.00 0.63 -1.00 -4.95 116.66 105.54 2k0f n ARG 70 Ca -0.10 0.61 -0.41 0.00 -0.92 0.00 0.00 57.85 57.03 2k0f n ARG 70 Cb 0.61 -2.35 -0.07 0.00 0.45 0.00 0.00 32.46 31.10 2k0f n ARG 70 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 2k0f s LYS 71 N 2.51 4.04 0.00 -0.14 1.02 -1.26 -5.04 119.74 120.86 2k0f s LYS 71 Ca 0.90 0.41 0.00 0.00 0.02 0.00 0.00 55.97 57.30 2k0f s LYS 71 Cb -0.85 -3.67 0.00 0.00 -0.52 0.00 0.00 37.83 32.79 2k0f s LYS 71 CO 0.52 -0.44 0.00 -1.33 -0.92 0.00 0.00 175.35 173.18 2k0f n MET 72 N 5.71 1.62 -1.47 1.68 2.81 -1.26 -5.10 117.12 121.11 2k0f n MET 72 Ca -0.02 0.00 -0.31 0.00 -1.81 0.00 0.00 57.70 55.56 2k0f n MET 72 Cb 0.49 0.00 0.07 0.00 -0.71 0.00 0.00 33.22 33.07 2k0f n MET 72 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 2k0f s LYS 73 N -0.29 2.59 0.44 0.03 -2.85 -1.26 -4.97 119.74 113.44 2k0f s LYS 73 Ca 0.00 1.15 0.25 0.00 -1.00 0.00 0.00 55.97 56.37 2k0f s LYS 73 Cb 0.00 -1.94 0.87 0.00 -2.06 0.00 0.00 37.83 34.70 2k0f s LYS 73 CO 0.00 -1.39 1.80 -0.44 0.10 0.00 0.00 175.35 175.42 2k0f h ASP 74 N -0.73 0.00 -0.31 0.03 3.32 -1.98 -2.34 116.42 114.41 2k0f h ASP 74 Ca -0.44 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.55 2k0f h ASP 74 Cb 1.23 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.76 2k0f h ASP 74 CO 0.54 0.20 0.02 0.71 -1.72 0.00 0.00 179.24 178.99 2k0f h THR 75 N 0.00 1.21 0.00 0.35 1.35 -2.01 -2.87 112.91 110.95 2k0f h THR 75 Ca -0.00 -0.85 -0.14 0.00 -0.55 0.00 0.00 66.41 64.87 2k0f h THR 75 Cb 0.79 0.88 -0.02 0.00 -1.73 0.00 0.00 68.15 68.07 2k0f h THR 75 CO 0.03 0.30 -0.77 0.44 -0.25 0.00 0.00 175.52 175.26 2k0f h ASP 76 N 0.61 0.00 1.10 5.36 3.32 -1.82 -3.16 116.42 121.83 2k0f h ASP 76 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 2k0f h ASP 76 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 2k0f h ASP 76 CO 0.01 0.64 0.00 -1.20 -1.72 0.00 0.00 179.24 176.97 2k0f n SER 77 N -3.20 0.41 -0.02 6.45 7.64 -1.11 -2.84 113.62 120.94 2k0f n SER 77 Ca -0.01 0.55 -0.13 0.00 1.01 0.00 0.00 58.87 60.29 2k0f n SER 77 Cb 0.80 -0.66 -0.10 0.00 -1.01 0.00 0.00 64.21 63.24 2k0f n SER 77 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2k0f h GLU 78 N 0.00 0.03 0.00 1.43 4.57 -1.47 -3.30 114.58 115.83 2k0f h GLU 78 Ca 0.00 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.13 2k0f h GLU 78 Cb 0.55 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.14 2k0f h GLU 78 CO 0.00 0.59 -0.14 0.93 -1.18 0.00 0.00 179.01 179.21 2k0f h GLU 79 N -0.52 0.00 -0.41 1.92 5.08 -1.64 0.66 114.58 119.66 2k0f h GLU 79 Ca 0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 2k0f h GLU 79 Cb 0.58 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 2k0f h GLU 79 CO 0.00 0.14 -0.14 0.93 -1.00 0.00 0.00 179.01 178.94 2k0f h GLU 80 N 0.00 0.75 0.00 2.33 5.08 -1.63 -2.30 114.58 118.81 2k0f h GLU 80 Ca -0.00 -0.26 -0.34 0.00 -1.00 0.00 0.00 59.36 57.76 2k0f h GLU 80 Cb 0.34 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.47 2k0f h GLU 80 CO 0.02 0.86 -2.11 -0.89 -1.00 0.00 0.00 179.01 175.88 2k0f n ILE 81 N -4.15 1.49 0.09 3.13 2.08 0.06 -1.67 119.36 120.40 2k0f n ILE 81 Ca 0.01 -0.82 -0.14 0.00 0.56 0.00 0.00 62.75 62.36 2k0f n ILE 81 Cb 0.38 -0.77 -0.07 0.00 -0.75 0.00 0.00 39.64 38.43 2k0f n ILE 81 CO 0.00 0.00 0.00 0.03 0.56 0.00 0.00 176.55 177.14 2k0f h ARG 82 N 0.00 -0.59 0.00 0.38 2.47 -1.15 -0.68 114.38 114.80 2k0f h ARG 82 Ca -0.44 0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.32 2k0f h ARG 82 Cb 2.14 0.13 0.00 0.00 -1.65 0.00 0.00 29.97 30.59 2k0f h ARG 82 CO 0.05 -0.40 -0.20 0.93 0.56 0.00 0.00 179.97 180.91 2k0f h GLU 83 N -0.62 0.00 0.00 0.04 4.39 -1.47 -0.77 114.58 116.15 2k0f h GLU 83 Ca 0.03 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.67 2k0f h GLU 83 Cb 0.66 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.30 2k0f h GLU 83 CO -0.27 0.00 -0.31 0.00 -1.16 0.00 0.00 179.01 177.27 2k0f h ALA 84 N 2.24 1.32 -0.01 3.43 0.00 -1.26 -1.39 119.26 123.59 2k0f h ALA 84 Ca 0.00 -0.28 -0.18 0.00 0.00 0.00 0.00 54.91 54.45 2k0f h ALA 84 Cb 0.88 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2k0f h ALA 84 CO 0.00 0.39 -0.81 0.35 0.00 0.00 0.00 179.25 179.17 2k0f h PHE 85 N 0.00 0.24 -0.52 0.00 3.04 -0.69 -2.60 116.94 116.42 2k0f h PHE 85 Ca -0.00 -0.13 -0.01 0.00 3.98 0.00 0.00 57.97 61.81 2k0f h PHE 85 Cb 0.61 -0.03 -0.02 0.00 2.56 0.00 0.00 35.95 39.07 2k0f h PHE 85 CO 0.00 0.91 0.28 -0.09 -2.02 0.00 0.00 178.31 177.39 2k0f h ARG 86 N 0.10 0.72 -0.40 1.11 2.43 -0.93 -1.58 114.38 115.83 2k0f h ARG 86 Ca -0.03 -0.09 0.07 0.00 -0.81 0.00 0.00 59.98 59.12 2k0f h ARG 86 Cb 1.42 -0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 30.76 2k0f h ARG 86 CO 0.12 0.56 0.03 0.28 -1.51 0.00 0.00 179.97 179.45 2k0f h VAL 87 N 0.69 0.72 0.52 0.20 2.07 -1.24 -3.35 116.25 115.86 2k0f h VAL 87 Ca 0.18 -0.05 -0.03 0.00 0.82 0.00 0.00 66.70 67.63 2k0f h VAL 87 Cb 0.05 0.57 0.01 0.00 -1.52 0.00 0.00 31.29 30.40 2k0f h VAL 87 CO -0.03 0.03 -0.25 -0.26 0.02 0.00 0.00 177.57 177.08 2k0f h PHE 88 N 0.14 -0.64 -2.73 1.57 -1.00 -1.06 -3.43 116.94 109.78 2k0f h PHE 88 Ca 0.20 -0.02 -0.56 0.00 2.81 0.00 0.00 57.97 60.40 2k0f h PHE 88 Cb 0.27 0.21 -0.02 0.00 3.61 0.00 0.00 35.95 40.02 2k0f h PHE 88 CO -0.25 -0.40 1.14 0.34 -1.61 0.00 0.00 178.31 177.53 2k0f s ASP 89 N -4.45 6.35 -0.12 2.17 2.15 -0.63 -4.79 116.67 117.35 2k0f s ASP 89 Ca -0.10 1.65 -0.09 0.00 0.43 0.00 0.00 52.55 54.44 2k0f s ASP 89 Cb 0.01 -2.53 -0.08 0.00 -0.30 0.00 0.00 42.92 40.02 2k0f s ASP 89 CO 0.30 -1.28 0.20 0.50 -0.17 0.00 0.00 175.17 174.73 2k0f h LYS 90 N 10.86 0.00 -0.53 4.34 1.63 -1.86 -3.39 116.57 127.62 2k0f h LYS 90 Ca -0.34 0.00 0.06 0.00 -0.85 0.00 0.00 60.65 59.52 2k0f h LYS 90 Cb 1.16 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.73 2k0f h LYS 90 CO 1.00 0.31 0.23 0.38 -3.45 0.00 0.00 179.45 177.92 2k0f h ASP 91 N -1.00 0.29 0.00 4.20 3.04 -1.95 -3.47 116.42 117.53 2k0f h ASP 91 Ca -0.01 0.05 0.00 0.00 -3.24 0.00 0.00 57.03 53.82 2k0f h ASP 91 Cb 0.36 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.65 2k0f h ASP 91 CO -0.01 0.20 0.00 0.61 -2.04 0.00 0.00 179.24 178.00 2k0f n GLY 92 N -1.26 0.76 0.23 7.15 0.00 -1.26 -5.01 105.19 105.79 2k0f n GLY 92 Ca 0.06 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.09 2k0f n GLY 92 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2k0f h ASN 93 N 0.00 0.19 0.00 1.61 -1.07 -1.93 -3.48 115.58 110.90 2k0f h ASN 93 Ca 0.00 -0.05 0.00 0.00 0.07 0.00 0.00 56.30 56.32 2k0f h ASN 93 Cb 0.00 -0.05 0.00 0.00 -2.07 0.00 0.00 38.32 36.20 2k0f h ASN 93 CO 0.00 0.41 0.00 0.61 0.07 0.00 0.00 177.43 178.52 2k0f n GLY 94 N -0.73 0.89 2.91 9.14 0.00 -1.26 -5.06 105.19 111.08 2k0f n GLY 94 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 2k0f n GLY 94 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k0f s TYR 95 N -2.00 1.58 -0.19 1.61 2.02 -1.26 -4.51 117.35 114.59 2k0f s TYR 95 Ca 0.00 -0.86 -0.18 0.00 -0.37 0.00 0.00 57.07 55.66 2k0f s TYR 95 Cb 0.00 -1.27 -0.03 0.00 -0.40 0.00 0.00 41.96 40.25 2k0f s TYR 95 CO 0.00 -0.55 0.50 0.42 -1.57 0.00 0.00 175.55 174.35 2k0f s ILE 96 N 1.68 5.12 0.59 2.71 1.01 0.72 -4.85 121.20 128.18 2k0f s ILE 96 Ca 0.04 0.93 0.04 0.00 0.00 0.00 0.00 60.65 61.65 2k0f s ILE 96 Cb -0.13 -3.83 0.07 0.00 0.01 0.00 0.00 42.46 38.58 2k0f s ILE 96 CO -0.08 0.20 0.82 -0.44 0.00 0.00 0.00 174.94 175.43 2k0f s SER 97 N 1.11 5.00 0.18 3.58 0.01 -1.26 0.73 113.70 123.04 2k0f s SER 97 Ca 0.24 -0.38 -0.16 0.00 1.31 0.00 0.00 55.95 56.95 2k0f s SER 97 Cb -0.15 -0.30 0.14 0.00 0.21 0.00 0.00 66.02 65.91 2k0f s SER 97 CO 0.09 -1.36 1.65 0.00 0.41 0.00 0.00 173.24 174.04 2k0f h ALA 98 N -0.01 0.28 -0.45 1.44 0.00 -1.97 -1.70 119.26 116.85 2k0f h ALA 98 Ca -0.37 0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.61 2k0f h ALA 98 Cb 1.28 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 2k0f h ALA 98 CO 0.45 -0.46 -0.12 0.00 0.00 0.00 0.00 179.25 179.11 2k0f h ALA 99 N 1.42 0.62 -0.24 0.00 0.00 -1.98 -1.49 119.26 117.58 2k0f h ALA 99 Ca 0.22 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2k0f h ALA 99 Cb 0.37 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2k0f h ALA 99 CO -0.49 0.53 0.07 0.93 0.00 0.00 0.00 179.25 180.28 2k0f h GLU 100 N 0.72 0.34 0.67 0.00 5.08 -1.88 0.16 114.58 119.67 2k0f h GLU 100 Ca 0.11 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 2k0f h GLU 100 Cb 0.67 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.86 2k0f h GLU 100 CO 0.05 0.32 -0.32 -0.07 -1.00 0.00 0.00 179.01 177.98 2k0f h LEU 101 N 0.34 -0.76 -0.56 1.33 3.38 -0.53 -3.10 115.31 115.40 2k0f h LEU 101 Ca 0.09 -0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.16 2k0f h LEU 101 Cb 0.13 0.20 -0.09 0.00 0.09 0.00 0.00 40.66 40.98 2k0f h LEU 101 CO -0.00 -0.46 -0.01 -0.09 0.09 0.00 0.00 178.44 177.97 2k0f h ARG 102 N -1.04 0.11 -0.77 1.13 2.43 -1.15 -2.25 114.38 112.83 2k0f h ARG 102 Ca -0.09 -0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.15 2k0f h ARG 102 Cb 0.72 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.20 2k0f h ARG 102 CO 0.15 0.07 0.50 1.25 -1.51 0.00 0.00 179.97 180.44 2k0f h HIS 103 N 0.11 0.78 0.25 2.20 2.76 -0.75 0.57 115.15 121.07 2k0f h HIS 103 Ca 0.29 0.02 -0.33 0.00 -2.20 0.00 0.00 60.37 58.15 2k0f h HIS 103 Cb 0.45 -0.26 0.04 0.00 1.55 0.00 0.00 27.41 29.20 2k0f h HIS 103 CO -0.35 0.39 -1.45 0.28 -1.30 0.00 0.00 177.93 175.50 2k0f h VAL 104 N 0.75 1.28 0.00 5.26 2.07 -1.40 -2.35 116.25 121.87 2k0f h VAL 104 Ca 0.34 -2.67 -0.00 0.00 0.82 0.00 0.00 66.70 65.19 2k0f h VAL 104 Cb 0.35 3.02 -0.00 0.00 -1.52 0.00 0.00 31.29 33.14 2k0f h VAL 104 CO -0.12 0.80 -0.02 0.24 0.02 0.00 0.00 177.57 178.49 2k0f h MET 105 N 0.15 0.00 -0.10 1.57 2.07 -1.33 -2.27 114.93 115.01 2k0f h MET 105 Ca -0.25 0.00 -0.23 0.00 -2.07 0.00 0.00 59.70 57.14 2k0f h MET 105 Cb 2.15 0.00 0.01 0.00 -1.87 0.00 0.00 31.60 31.89 2k0f h MET 105 CO 0.27 0.02 -0.86 1.15 1.07 0.00 0.00 176.91 178.56 2k0f h THR 106 N 0.00 1.29 -0.22 2.22 2.02 -0.85 0.34 112.91 117.70 2k0f h THR 106 Ca -0.00 -2.08 -0.05 0.00 0.77 0.00 0.00 66.41 65.06 2k0f h THR 106 Cb 0.66 2.11 -0.01 0.00 -1.74 0.00 0.00 68.15 69.17 2k0f h THR 106 CO 0.00 0.65 -0.07 0.78 0.37 0.00 0.00 175.52 177.26 2k0f h ASN 107 N 0.48 0.32 0.42 4.18 2.35 -1.34 -3.09 115.58 118.90 2k0f h ASN 107 Ca -0.07 -0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.60 2k0f h ASN 107 Cb 1.49 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 39.78 2k0f h ASN 107 CO 0.17 0.43 -0.20 -0.07 -1.65 0.00 0.00 177.43 176.11 2k0f h LEU 108 N 0.33 -0.48 0.00 1.61 3.38 -1.36 -3.43 115.31 115.36 2k0f h LEU 108 Ca 0.07 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2k0f h LEU 108 Cb 0.33 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2k0f h LEU 108 CO 0.02 -0.26 0.00 0.61 0.09 0.00 0.00 178.44 178.90 2k0f n GLY 109 N -0.45 0.19 3.91 0.83 0.00 0.98 -4.91 105.19 105.74 2k0f n GLY 109 Ca -0.07 -0.04 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 2k0f n GLY 109 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k0f s GLU 110 N 0.00 3.48 -0.80 1.61 0.41 0.00 -5.01 118.70 118.40 2k0f s GLU 110 Ca 0.00 -0.35 -0.17 0.00 -0.41 0.00 0.00 54.97 54.04 2k0f s GLU 110 Cb 0.00 -3.00 0.16 0.00 -1.78 0.00 0.00 34.13 29.50 2k0f s GLU 110 CO 0.00 0.58 0.88 0.15 -0.49 0.00 0.00 175.26 176.39 2k0f s LYS 111 N -2.50 3.45 0.23 1.61 1.02 -1.26 -4.40 119.74 117.89 2k0f s LYS 111 Ca 0.36 -1.90 -0.12 0.00 0.02 0.00 0.00 55.97 54.34 2k0f s LYS 111 Cb -0.13 -4.56 -0.07 0.00 -0.52 0.00 0.00 37.83 32.54 2k0f s LYS 111 CO 0.27 -1.54 0.58 -0.51 -0.92 0.00 0.00 175.35 173.23 2k0f s LEU 112 N 1.77 4.19 0.49 3.17 1.43 -1.26 -5.09 118.68 123.39 2k0f s LEU 112 Ca 0.22 1.02 0.05 0.00 -1.03 0.00 0.00 54.13 54.38 2k0f s LEU 112 Cb -0.12 -3.66 -0.00 0.00 0.03 0.00 0.00 46.19 42.44 2k0f s LEU 112 CO -0.05 -0.06 0.24 0.42 0.23 0.00 0.00 176.35 177.13 2k0f s THR 113 N -1.77 1.75 0.19 5.49 -4.23 -1.26 -5.01 115.64 110.80 2k0f s THR 113 Ca 0.46 -1.67 -0.11 0.00 -1.18 0.00 0.00 61.69 59.19 2k0f s THR 113 Cb -0.12 -2.42 0.11 0.00 1.34 0.00 0.00 72.50 71.42 2k0f s THR 113 CO 0.20 0.00 1.82 0.44 -0.54 0.00 0.00 174.62 176.54 2k0f h ASP 114 N 1.10 0.56 -0.31 3.99 3.32 -2.00 -2.58 116.42 120.49 2k0f h ASP 114 Ca -0.40 0.01 0.05 0.00 0.02 0.00 0.00 57.03 56.71 2k0f h ASP 114 Cb 1.29 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 40.69 2k0f h ASP 114 CO 0.65 0.38 -0.00 -0.33 -1.72 0.00 0.00 179.24 178.22 2k0f h GLU 115 N 0.69 0.08 -0.83 3.56 3.07 -1.99 -2.33 114.58 116.83 2k0f h GLU 115 Ca 0.25 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 59.11 2k0f h GLU 115 Cb 0.08 -0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 27.93 2k0f h GLU 115 CO -0.13 0.06 0.51 1.49 -1.40 0.00 0.00 179.01 179.54 2k0f h GLU 116 N 0.09 1.11 0.29 2.33 4.57 -1.89 -0.65 114.58 120.42 2k0f h GLU 116 Ca 0.15 -0.09 -0.01 0.00 -1.18 0.00 0.00 59.36 58.23 2k0f h GLU 116 Cb 0.20 -0.24 0.00 0.00 -0.16 0.00 0.00 28.75 28.56 2k0f h GLU 116 CO -0.26 0.76 -0.14 0.28 -1.18 0.00 0.00 179.01 178.48 2k0f h VAL 117 N 1.13 0.66 -0.81 0.32 2.07 -1.37 -2.58 116.25 115.67 2k0f h VAL 117 Ca 0.30 -0.74 0.18 0.00 0.82 0.00 0.00 66.70 67.26 2k0f h VAL 117 Cb -0.07 1.01 -0.11 0.00 -1.52 0.00 0.00 31.29 30.60 2k0f h VAL 117 CO -0.06 0.13 0.31 -0.78 0.02 0.00 0.00 177.57 177.19 2k0f h ASP 118 N -0.83 0.24 -0.36 0.57 3.58 -1.28 0.31 116.42 118.65 2k0f h ASP 118 Ca -0.04 0.14 -0.03 0.00 0.42 0.00 0.00 57.03 57.51 2k0f h ASP 118 Cb 0.52 0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.68 2k0f h ASP 118 CO 0.07 0.03 0.09 -0.08 -2.88 0.00 0.00 179.24 176.47 2k0f h GLU 119 N 0.39 0.57 -0.88 0.28 4.81 -1.11 -1.48 114.58 117.17 2k0f h GLU 119 Ca 0.47 -0.14 0.06 0.00 -0.13 0.00 0.00 59.36 59.62 2k0f h GLU 119 Cb 0.81 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 30.05 2k0f h GLU 119 CO -0.48 0.62 0.55 0.52 -0.73 0.00 0.00 179.01 179.48 2k0f h MET 120 N 0.43 0.98 -0.73 1.92 2.86 -1.26 -2.09 114.93 117.04 2k0f h MET 120 Ca 0.11 -0.06 -0.06 0.00 -2.06 0.00 0.00 59.70 57.64 2k0f h MET 120 Cb 0.30 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 31.71 2k0f h MET 120 CO 0.00 0.65 0.23 0.82 1.06 0.00 0.00 176.91 179.67 2k0f h ILE 121 N 1.01 1.26 0.00 -1.22 2.04 -0.74 -1.98 117.51 117.87 2k0f h ILE 121 Ca 0.38 -0.89 -0.02 0.00 1.00 0.00 0.00 64.86 65.33 2k0f h ILE 121 Cb 0.15 0.46 -0.00 0.00 -0.74 0.00 0.00 36.82 36.69 2k0f h ILE 121 CO -0.17 0.35 -0.10 0.03 0.00 0.00 0.00 178.15 178.26 2k0f h ARG 122 N 1.07 0.00 -0.03 2.37 3.08 -0.63 0.31 114.38 120.55 2k0f h ARG 122 Ca 0.23 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.21 2k0f h ARG 122 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 2k0f h ARG 122 CO -0.01 0.10 -0.28 1.49 -1.07 0.00 0.00 179.97 180.20 2k0f h GLU 123 N 0.00 0.24 0.00 0.04 4.81 -0.85 -3.37 114.58 115.46 2k0f h GLU 123 Ca -0.00 -0.22 -0.27 0.00 -0.13 0.00 0.00 59.36 58.74 2k0f h GLU 123 Cb 0.25 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.64 2k0f h GLU 123 CO 0.01 0.90 -1.47 0.00 -0.73 0.00 0.00 179.01 177.73 2k0f h ALA 124 N 0.34 0.61 -2.03 2.92 0.00 -0.62 -3.45 119.26 117.04 2k0f h ALA 124 Ca -0.03 -1.27 -0.57 0.00 0.00 0.00 0.00 54.91 53.04 2k0f h ALA 124 Cb 0.98 0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.99 2k0f h ALA 124 CO 0.06 1.46 0.92 0.34 0.00 0.00 0.00 179.25 182.03 2k0f s ASP 125 N -6.33 6.82 -0.24 0.00 2.15 0.10 -4.87 116.67 114.30 2k0f s ASP 125 Ca -0.03 1.37 -0.00 0.00 0.43 0.00 0.00 52.55 54.31 2k0f s ASP 125 Cb 0.09 -2.54 -0.14 0.00 -0.30 0.00 0.00 42.92 40.02 2k0f s ASP 125 CO 0.82 -0.92 -0.22 -0.38 -0.17 0.00 0.00 175.17 174.30 2k0f n ILE 126 N 5.83 1.34 0.13 4.11 5.41 -1.26 -4.76 119.36 130.16 2k0f n ILE 126 Ca 0.14 -0.48 -0.05 0.00 1.00 0.00 0.00 62.75 63.35 2k0f n ILE 126 Cb 0.46 -1.40 -0.03 0.00 -0.71 0.00 0.00 39.64 37.96 2k0f n ILE 126 CO 0.00 0.00 0.00 -2.24 0.00 0.00 0.00 176.55 174.31 2k0f h ASP 127 N -0.14 -0.30 0.00 4.38 3.04 -1.93 -3.49 116.42 117.98 2k0f h ASP 127 Ca -0.54 0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.26 2k0f h ASP 127 Cb 1.77 0.08 0.00 0.00 -1.04 0.00 0.00 39.33 40.13 2k0f h ASP 127 CO -0.13 -0.15 0.00 0.61 -2.04 0.00 0.00 179.24 177.53 2k0f n GLY 128 N -0.23 -0.63 0.15 7.15 0.00 -1.26 -5.04 105.19 105.33 2k0f n GLY 128 Ca -0.04 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.03 2k0f n GLY 128 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2k0f h ASP 129 N 0.00 0.00 -0.01 1.61 3.04 -1.96 -3.48 116.42 115.62 2k0f h ASP 129 Ca 0.00 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2k0f h ASP 129 Cb 0.00 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.29 2k0f h ASP 129 CO 0.00 0.33 -0.00 0.61 -2.04 0.00 0.00 179.24 178.13 2k0f n GLY 130 N 1.22 0.47 3.75 7.15 0.00 -1.26 -5.08 105.19 111.44 2k0f n GLY 130 Ca 0.00 -0.12 -0.23 0.00 0.00 0.00 0.00 46.02 45.68 2k0f n GLY 130 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k0f s GLN 131 N -0.38 2.40 -0.19 1.61 -0.21 -1.26 -4.68 119.66 116.96 2k0f s GLN 131 Ca 0.00 -1.55 -0.02 0.00 0.02 0.00 0.00 55.36 53.81 2k0f s GLN 131 Cb 0.00 -2.19 -0.00 0.00 1.00 0.00 0.00 33.01 31.81 2k0f s GLN 131 CO 0.00 0.07 -0.11 0.08 -2.12 0.00 0.00 175.29 173.21 2k0f s VAL 132 N -2.43 2.93 0.94 1.09 1.01 0.22 -4.76 120.40 119.40 2k0f s VAL 132 Ca 0.39 -0.66 -0.14 0.00 0.00 0.00 0.00 61.98 61.57 2k0f s VAL 132 Cb -0.02 -2.28 0.20 0.00 0.00 0.00 0.00 36.38 34.27 2k0f s VAL 132 CO 0.23 0.48 1.29 0.54 0.00 0.00 0.00 175.10 177.65 2k0f s ASN 133 N 1.16 3.18 0.10 3.32 2.20 -1.26 -0.20 114.94 123.44 2k0f s ASN 133 Ca 0.01 0.16 -0.31 0.00 -0.94 0.00 0.00 52.86 51.78 2k0f s ASN 133 Cb -0.14 -0.21 -0.12 0.00 -2.00 0.00 0.00 41.25 38.78 2k0f s ASN 133 CO -0.04 -2.68 1.60 0.22 -2.94 0.00 0.00 177.10 173.26 2k0f h TYR 134 N -1.55 -1.07 -0.67 1.54 3.20 -1.99 -2.36 116.97 114.07 2k0f h TYR 134 Ca -0.43 0.02 0.11 0.00 3.14 0.00 0.00 58.73 61.57 2k0f h TYR 134 Cb 1.23 0.43 -0.08 0.00 1.54 0.00 0.00 36.73 39.85 2k0f h TYR 134 CO -1.13 -0.52 0.25 1.49 -1.64 0.00 0.00 178.16 176.61 2k0f h GLU 135 N -0.72 0.40 0.00 1.82 4.81 -1.99 -1.86 114.58 117.04 2k0f h GLU 135 Ca -0.01 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 2k0f h GLU 135 Cb 0.69 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.97 2k0f h GLU 135 CO -0.14 0.27 -0.08 0.93 -0.73 0.00 0.00 179.01 179.26 2k0f h GLU 136 N 0.41 0.00 0.00 1.92 5.08 -1.86 -0.80 114.58 119.33 2k0f h GLU 136 Ca 0.35 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.54 2k0f h GLU 136 Cb 0.47 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 2k0f h GLU 136 CO -0.35 0.08 -1.01 0.35 -1.00 0.00 0.00 179.01 177.08 2k0f h PHE 137 N 0.00 0.00 0.00 4.33 3.57 -0.85 -1.82 116.94 122.17 2k0f h PHE 137 Ca -0.00 0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.31 2k0f h PHE 137 Cb 0.23 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.94 2k0f h PHE 137 CO 0.00 0.70 -0.91 0.28 -2.23 0.00 0.00 178.31 176.15 2k0f h VAL 138 N 0.00 1.59 0.00 1.41 2.07 -0.43 -3.34 116.25 117.55 2k0f h VAL 138 Ca -0.08 -3.19 -0.11 0.00 0.82 0.00 0.00 66.70 64.14 2k0f h VAL 138 Cb 1.61 2.75 -0.02 0.00 -1.52 0.00 0.00 31.29 34.11 2k0f h VAL 138 CO 0.08 0.89 -0.64 1.56 0.02 0.00 0.00 177.57 179.48 2k0f h GLN 139 N 0.00 0.00 -0.35 1.57 4.20 -1.05 -2.74 115.11 116.74 2k0f h GLN 139 Ca -0.01 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.78 2k0f h GLN 139 Cb 1.68 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 29.38 2k0f h GLN 139 CO 0.12 0.46 -0.18 1.98 -0.67 0.00 0.00 178.83 180.54 2k0f h MET 140 N 0.00 -0.12 -0.31 1.46 4.05 -1.46 -3.26 114.93 115.29 2k0f h MET 140 Ca -0.03 0.01 -0.06 0.00 -0.28 0.00 0.00 59.70 59.34 2k0f h MET 140 Cb 1.41 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 32.23 2k0f h MET 140 CO 0.06 -0.08 -0.03 0.52 0.23 0.00 0.00 176.91 177.61 2k0f h MET 141 N -0.13 0.57 -0.02 0.39 2.86 -1.61 -3.52 114.93 113.48 2k0f h MET 141 Ca 0.17 -0.20 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2k0f h MET 141 Cb 0.39 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.01 2k0f h MET 141 CO -0.42 0.73 0.00 0.25 1.06 0.00 0.00 176.91 178.52